1-(4-chlorophenyl)-4-(4-hydroxy-3,5-dimethoxyphenyl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
1-(4-chlorophenyl)-4-(4-hydroxy-3,5-dimethoxyphenyl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
1-(4-chlorophenyl)-4-(4-hydroxy-3,5-dimethoxyphenyl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | D302-0440 |
| Compound Name: | 1-(4-chlorophenyl)-4-(4-hydroxy-3,5-dimethoxyphenyl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 445.92 |
| Molecular Formula: | C21 H20 Cl N3 O4 S |
| Smiles: | Cc1c2C(c3cc(c(c(c3)OC)O)OC)SCC(Nc2n(c2ccc(cc2)[Cl])n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1741 |
| logD: | 3.1665 |
| logSw: | -3.5098 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.162 |
| InChI Key: | GRQDUBANQJYXFJ-HXUWFJFHSA-N |